Ro 42-1410
TL;DR: Ro 42-1410 (CAS 133762-99-9) is a chemical compound with molecular formula C13H11ClF3N3O4S and molecular weight 397.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-chloro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]phenyl]methanesulfonamide
Also Known As: Ro 42-1410, Ro-42-1410, N-[2-chloro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]phenyl]methanesulfonamide, Methanesulfonamide, N-(2-chloro-5-(3,6-dihydro-3-methyl-2,6-dioxo-4-(trifluoromethyl)-1(2H)-pyrimidinyl)phenyl)-, n-{2-chloro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-3,6-dihydropyrimidin-1(2h)-yl]phenyl}methanesulfonamide
| Molecular Formula | C13H11ClF3N3O4S |
|---|---|
| Molecular Weight | 397.01 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 95.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 397.01108 |
| Heavy Atoms | 25 |
| Complexity | 704.0 |
Chemical Identifiers
| CAS Number | 133762-99-9 |
|---|---|
| SMILES | CN1C(=CC(=O)N(C1=O)C2=CC(=C(C=C2)Cl)NS(=O)(=O)C)C(F)(F)F |
| InChIKey | LCBHLLDTDZMYOV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ro 42-1410 (CAS 133762-99-9), with molecular formula C13H11ClF3N3O4S and molecular weight 397.01 g/mol. IUPAC: N-[2-chloro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]phenyl]methanesulfonamide.
Chemical Property Profile of Ro 42-1410
Property Insights of Ro 42-1410
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ro 42-1410. The TPSA of 95.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Ro 42-1410. Following Lipinski's Rule of Five, Ro 42-1410 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ro 42-1410?
The CAS number of Ro 42-1410 is 133762-99-9.
What is the molecular formula of Ro 42-1410?
The molecular formula of Ro 42-1410 is C13H11ClF3N3O4S.
What is the molecular weight of Ro 42-1410?
The molecular weight of Ro 42-1410 is 397.01 g/mol.
Where can I buy Ro 42-1410?
You can request a quote for Ro 42-1410 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ro 42-1410?
Yes, KEHONG BIO provides custom synthesis services for Ro 42-1410 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.